[butyl-bis[(E)-3-chloranylprop-2-enyl]azaniumyl]methanethioate

Systemtic Name: [butyl-bis[(E)-3-chloranylprop-2-enyl]azaniumyl]methanethioate Openeye Name: [butyl-bis[(E)-3-chloroallyl]ammonio]methanethioate CAS Name: [butyl-bis[(E)-3-chloroprop-2-enyl]ammonio]methanethioate IUPAC Name: [butyl-bis[(E)-3-chloroprop-2-enyl]azaniumyl]methanethioate Traditional Name: [butyl-bis[(E)-3-chloroallyl]ammonio]thioformate Formula: C11H17Cl2NOS MolecularWeight: 282.22978

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CC=CCl)(CC=CCl)C(=S)[O-]

Isomeric SMILES

CCCC[N+](C(=S)[O-])(C/C=C/Cl)C/C=C/Cl

InChI

InChI=1S/C11H17Cl2NOS/c1-2-3-8-14(11(15)16,9-4-6-12)10-5-7-13/h4-7H,2-3,8-10H2,1H3/b6-4+,7-5+